2-(cyclopropylmethylamino)heptanenitrile

C11H20N2 — CID 60996351

IUPAC2-(cyclopropylmethylamino)heptanenitrile
SMILESCCCCCC(C#N)NCC1CC1
InChIInChI=1S/C11H20N2/c1-2-3-4-5-11(8-12)13-9-10-6-7-10/h10-11,13H,2-7,9H2,1H3
InChIKeySEYNRDLIJBJMJB-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.46
Rot. Bonds7

About 2-(cyclopropylmethylamino)heptanenitrile

2-(cyclopropylmethylamino)heptanenitrile (PubChem CID 60996351) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)heptanenitrile.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)heptanenitrile
PubChem CID60996351
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name2-(cyclopropylmethylamino)heptanenitrile
SMILESCCCCCC(C#N)NCC1CC1
InChIInChI=1S/C11H20N2/c1-2-3-4-5-11(8-12)13-9-10-6-7-10/h10-11,13H,2-7,9H2,1H3
InChIKeySEYNRDLIJBJMJB-UHFFFAOYSA-N
XLogP2.46
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(cyclopropylmethylamino)butanenitrile
CID 60996082
2-(2-methoxyethylamino)octanenitrile
CID 62540992
N-(cyclobutylmethyl)octan-2-amine
CID 43298239
2-(2-hydroxyethylamino)nonanenitrile
CID 62587141
2-(cyclohexylamino)nonanenitrile
CID 54894188
N-[(4-methylcyclohexyl)methyl]nonan-2-amine
CID 63464065
2-(cyclopropylamino)-4-pentoxybutanenitrile
CID 63029424
2-N-(cyclopropylmethyl)hexane-1,2-diamine
CID 65384187
2-(3-azidopropylamino)nonanenitrile
CID 66190474
N-(2-hexylnonyl)-N-methyl-4-[(pentadecan-8-ylamino)methyl]cyclohexan-1-amine
CID 170250372
2-octyldodecanenitrile
CID 87721815
2-octadecylicosanenitrile
CID 89491101

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)heptanenitrile?
The IUPAC name of 2-(cyclopropylmethylamino)heptanenitrile (CID 60996351) is 2-(cyclopropylmethylamino)heptanenitrile.
What is the SMILES notation for 2-(cyclopropylmethylamino)heptanenitrile?
The canonical SMILES for 2-(cyclopropylmethylamino)heptanenitrile is CCCCCC(C#N)NCC1CC1.
What is the InChIKey of 2-(cyclopropylmethylamino)heptanenitrile?
The InChIKey is SEYNRDLIJBJMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-2-3-4-5-11(8-12)13-9-10-6-7-10/h10-11,13H,2-7,9H2,1H3.
What are the key properties of 2-(cyclopropylmethylamino)heptanenitrile?
2-(cyclopropylmethylamino)heptanenitrile has a molecular weight of 180.29 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)heptanenitrile is sourced from PubChem (CID 60996351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).